3-cyclopentyl-2H-indazole-5-carboxylic acid

C13H14N2O2 — CID 105487831

IUPAC3-cyclopentyl-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]c(C3CCCC3)c2c1
InChIInChI=1S/C13H14N2O2/c16-13(17)9-5-6-11-10(7-9)12(15-14-11)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15)(H,16,17)
InChIKeySSRSLEXNEDRHTB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.92
Rot. Bonds2

About 3-cyclopentyl-2H-indazole-5-carboxylic acid

3-cyclopentyl-2H-indazole-5-carboxylic acid (PubChem CID 105487831) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-cyclopentyl-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2H-indazole-5-carboxylic acid
PubChem CID105487831
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-cyclopentyl-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]c(C3CCCC3)c2c1
InChIInChI=1S/C13H14N2O2/c16-13(17)9-5-6-11-10(7-9)12(15-14-11)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15)(H,16,17)
InChIKeySSRSLEXNEDRHTB-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2H-indazole-5-carboxylic acid (CID 105487831) is 3-cyclopentyl-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2H-indazole-5-carboxylic acid is O=C(O)c1ccc2n[nH]c(C3CCCC3)c2c1.
What is the InChIKey of 3-cyclopentyl-2H-indazole-5-carboxylic acid?
The InChIKey is SSRSLEXNEDRHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(17)9-5-6-11-10(7-9)12(15-14-11)8-3-1-2-4-8/h5-8H,1-4H2,(H,14,15)(H,16,17).
What are the key properties of 3-cyclopentyl-2H-indazole-5-carboxylic acid?
3-cyclopentyl-2H-indazole-5-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 105487831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).